CID 209547

Urea, 1-(1-benzyl-3-pyrrolidinyl)-3-(p-methoxyphenyl)-

Structural Information

Molecular Formula
C19H23N3O2
SMILES
COC1=CC=C(C=C1)NC(=O)NC2CCN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H23N3O2/c1-24-18-9-7-16(8-10-18)20-19(23)21-17-11-12-22(14-17)13-15-5-3-2-4-6-15/h2-10,17H,11-14H2,1H3,(H2,20,21,23)
InChIKey
FWILLPHCNXMGSS-UHFFFAOYSA-N
Compound name
1-(1-benzylpyrrolidin-3-yl)-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

325.17902 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.186296 176.5
[M+Na]+ 348.168238 180.0
[M-H]- 324.171744 184.2
[M+NH4]+ 343.212843 189.7
[M+K]+ 364.142178 175.8
[M+H-H2O]+ 308.176280 166.5
[M+HCOO]- 370.177221 198.9
[M+CH3COO]- 384.192871 211.1
[M+Na-2H]- 346.153686 178.4
[M]+ 325.17847142 173.9
[M]- 325.17956858 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe